- every object now has
as_dict/from_dict
methods to help save work as e.g. json files.- this introduces a breaking change! The functionality previously accessible
via
DefectSystem.as_dict()
in versions < 2.0.0 is now accessible viaDefectSystem.concentration_dict()
- this has also resulted in some changes to the CLI input file format. See the docs for new formatting requirements.
- this introduces a breaking change! The functionality previously accessible
via
- new warning handling for overflow errors